⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24175912 | 0.68 | — | — | |
| SCHEMBL13510923 | 0.60 | — | — | |
| SCHEMBL10066645 | 0.60 | — | — | |
| SCHEMBL10035905 | 0.60 | — | — | |
| SCHEMBL23565210 | 0.60 | — | — | |
| SCHEMBL21063902 | 0.60 | — | — | |
| SCHEMBL14222493 | 0.60 | — | — | |
| SCHEMBL19528792 | 0.60 | — | — | |
| SCHEMBL12697106 | 0.57 | — | — | |
| SCHEMBL14557087 | 0.56 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012128325-A1 | POLYFUNCTIONAL EPOXY COMPOUND | 日産化学工業株式会社 (JP) | 2012-09-27 | — | — | WO | disclosed |